N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C11H17N3O3 — CID 115884570

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O3/c1-7(15)11(2,3)12-10(17)8-5-6-9(16)14(4)13-8/h5-7,15H,1-4H3,(H,12,17)
InChIKeyKBITWEFGRIFSSD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.33
Rot. Bonds3

About N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 115884570) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID115884570
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C11H17N3O3/c1-7(15)11(2,3)12-10(17)8-5-6-9(16)14(4)13-8/h5-7,15H,1-4H3,(H,12,17)
InChIKeyKBITWEFGRIFSSD-UHFFFAOYSA-N
XLogP-0.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate
CID 81003471
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-phenylbutanoic acid
CID 119201712
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521
3-(4-tert-butylphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 119209886
2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789283
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17429467
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 115884570) is N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is CC(O)C(C)(C)NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is KBITWEFGRIFSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)11(2,3)12-10(17)8-5-6-9(16)14(4)13-8/h5-7,15H,1-4H3,(H,12,17).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 115884570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).